LMFA03030017
  LIPID_MAPS_STRUCTURE_DATABASE

 27 27  0     0  0            999 V2000
   15.5921    8.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4109    8.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4109    7.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3041    7.3932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1953    7.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1953    8.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3041    9.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0885    7.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9800    7.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9800    8.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0885    9.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8749    7.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7698    7.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6646    7.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5597    7.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4544    7.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3493    7.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0125    8.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9075    9.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8024    8.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6972    9.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8749    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5921    8.1193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3409    9.3742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3041   10.2810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2152    7.4091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  1  0  0  0
  8  9  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  6  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 10 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 12 22  1  6  0  0  0
  1 23  2  0  0  0  0
  1 24  1  0  0  0  0
  7 25  1  6  0  0  0
  3 26  1  4  0  0  0
 17 27  1  0     0  0
M  END
> <LM_ID>
LMFA03030017

> <COMMON_NAME>
20-hydroxy TXB2

> <SYSTEMATIC_NAME>
9S,11,15S,20-tetrahydroxy-thromboxa-5Z,13E-dien-1-oic acid

> <FORMULA>
C20H34O7

> <MASS>
386.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Thromboxanes [FA0303]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
20-hydroxythromboxane B2; omega-hydroxy TXB2

> <INCHI_KEY>
OHDKRIUTUFEMSD-WJPXWSOWSA-N

> <INCHI>
InChI=1S/C20H34O7/c21-13-7-3-4-8-15(22)11-12-18-16(17(23)14-20(26)27-18)9-5-1-2-6-10-19(24)25/h1,5,11-12,15-18,20-23,26H,2-4,6-10,13-14H2,(H,24,25)/b5-1-,12-11+/t15-,16-,17-,18+,20?/m0/s1

> <SMILES>
C(O)(=O)CCC/C=C\C[C@H]1[C@@H](O)CC(O)O[C@@H]1/C=C/[C@@H](O)CCCCCO

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:3;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178328119

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
9986

> <CITATION>
518891

$$$$